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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015617

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBENITROSOBENZENEA1LH70.81
NBENITROSOBENZENEA2LH70.81
NBENITROSOBENZENEA2NSS0.81
SANSULFANILAMIDEA1AJ00.7
5AN3,5-DIFLUOROANILINEA1LGX0.74
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.85
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.79
DAEO,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-
BERYLLIUM TRIFLUORIDE
A1D1A0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.8
DAQO,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1B0.72
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.75
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
NBZNITROBENZENEA,B2BMQ0.87
NBZNITROBENZENEA,B3BGU0.87
3NT3-NITROTOLUENEA,B2BMR0.78
3NT3-NITROTOLUENEA,B2HMO0.78
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.79
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.79
PNZP-NITRO-BENZYLAMINEA,B2C700.79
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.86
1AN2-FLUOROANILINEA1LGW0.76
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.7
NINDINITROPHENYLENEA1RSM0.9
NINDINITROPHENYLENEA1GVY0.9
NINDINITROPHENYLENEA1GW10.9
NIT4-NITROANILINEC,D1RMH0.93
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.93
NIT4-NITROANILINEB1VBS0.93
NIT4-NITROANILINEC1V9T0.93
NIT4-NITROANILINEC,D1VBT0.93
NIT4-NITROANILINEB1LOP0.93
NIT4-NITROANILINEC,D1ZKF0.93
NIT4-NITROANILINEB1PIP0.93
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.81
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.72
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.71